1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0945-0085 |
| Compound Name: | 1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 323.14 |
| Molecular Formula: | C13 H11 N2 O3 |
| Salt: | Br- |
| Smiles: | C(C(c1ccc(cc1)[N+]([O-])=O)=O)[n+]1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.776 |
| logD: | 1.776 |
| logSw: | -2.2223 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.66 |
| InChI Key: | RMVNRJQZZSUJMW-UHFFFAOYSA-N |